ChemDiv1_011278
TL;DR: ChemDiv1_011278 (CAS 312290-83-8) is a chemical compound with molecular formula C26H26N4O3S and molecular weight 474.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(2-amino-3-cyano-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydroquinolin-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: ChemDiv1_011278, A1815/0076732, ethyl 2-(2-amino-3-cyano-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydroquinolin-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-[2-amino-3-cyano-5-oxo-4-(3-pyridinyl)-5,6,7,8-tetrahydro-1(4H)-quinolinyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-[2-amino-3-cyano-5-oxo-4-(pyridin-3-yl)-5,6,7,8-tetrahydroquinolin-1(4H)-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C26H26N4O3S |
|---|---|
| Molecular Weight | 474.17 g/mol |
| LogP | 4.50338 |
| Topological Polar Surface Area | 109.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 474.17258 |
| Heavy Atoms | 34 |
| Complexity | 1268.9495 |
Chemical Identifiers
| CAS Number | 312290-83-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)N3C4=C(C(C(=C3N)C#N)C5=CN=CC=C5)C(=O)CCC4 |
Product Overview
ChemDiv1_011278 (CAS 312290-83-8), with molecular formula C26H26N4O3S and molecular weight 474.17 g/mol. IUPAC: ethyl 2-(2-amino-3-cyano-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydroquinolin-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of ChemDiv1_011278
Property Insights of ChemDiv1_011278
The XLogP value of 4.50338 indicates that ChemDiv1_011278 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.31 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_011278. Following Lipinski's Rule of Five, ChemDiv1_011278 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_011278?
The CAS number of ChemDiv1_011278 is 312290-83-8.
What is the molecular formula of ChemDiv1_011278?
The molecular formula of ChemDiv1_011278 is C26H26N4O3S.
What is the molecular weight of ChemDiv1_011278?
The molecular weight of ChemDiv1_011278 is 474.17 g/mol.
Where can I buy ChemDiv1_011278?
You can request a quote for ChemDiv1_011278 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_011278?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_011278 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.